2-Chloro-9,10-dihydro-N,N-dimethyl-9-acridinepropanamine
Basic information
- CAS
5310-55-4- Standard SMILES
CN(C)CCCC1c2ccccc2Nc2ccc(Cl)cc21- InChIKey
JFRLWWDJCFYFSU-UHFFFAOYSA-N- Molecular formula
- C18H21ClN2
- Average molar mass
- 300.8 g/mol
- Monoisotopic mass
- 300.1393264
Overview
Clomacran is a member of acridines.
Names & identifiers
- Preferred name
- 2-Chloro-9,10-dihydro-N,N-dimethyl-9-acridinepropanamine
- IUPAC
- 3-(2-chloro-9,10-dihydroacridin-9-yl)-N,N-dimethylpropan-1-amine
- English name
- Clomacran
- Molecular formula
- C18H21ClN2
- Molecular weight
- 300.83
Names & synonyms
Clomacran5310-55-4ClomacraneClomacranum9-Acridinepropanamine, 2-chloro-9,10-dihydro-N,N-dimethyl-5B1UZF65WW2-Chloro-9,10-dihydro-N,N-dimethyl-9-acridinepropanamine2-chloro-9-(3-dimethylaminopropyl)acridanDTXSID20863518RefChem:127051DTXCID008121203-(2-chloro-9,10-dihydroacridin-9-yl)-N,N-dimethylpropan-1-amine
Show more names
SKF-14336SKF-14336D2-Chloro-9-[3-(dimethylamino)propyl]acridan
SKF 14336; SKF 14336DClomacranoClomacran [INN:BAN]Clomacrane [INN-French]Clomacranum [INN-Latin]Clomacrano [INN-Spanish]SKF 14336-DUNII-5B1UZF65WW
Database identifiers
- CAS
5310-55-4- PubChem CID
- 21382
- DTXSID
DTXSID20863518- ChEMBL
CHEMBL1615350- ChEBI
CHEBI:135273- UNII
- 5B1UZF65WW
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Boiling point
- 402.4 · 402.4±45.0 °C(Predicted)
- Density
- 1.12 · 1.120±0.06 g/cm3(Predicted)
- pka
- 9.62 · 9.62±0.28(Predicted)
- FDA UNII
- 5 B1UZF65WW · 5B1UZF65WW
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Clomacran
vMost-DILI-concern
8
Withdrawn
DOI:10.1016/j.drudis.2016.02.015
Chemistry & industry
Applications
UsesAntipsychotic.
UsesClomacran, is an Antipsychotic drug. It has been shown to block the conditioned response, depressed motor activity, produced ptosis, antagonized d-amphetamine-induced stereotyped behavior and increased striatal HVA content in rats.
Additional notes
DefinitionChEBI: Clomacran is a member of acridines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…